(2S)-1-[(2S)-2-[(6-bromanyl-1H-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[(6-bromanyl-1H-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[(6-bromo-1H-indole-2-carbonyl)amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(6-bromo-1H-indol-2-yl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[(6-bromo-1H-indole-2-carbonyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[(6-bromo-1H-indole-2-carbonyl)amino]-3-phenyl-propanoyl]proline Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C23H22BrN3O4/c24-16-9-8-15-12-18(25-17(15)13-16)21(28)26-19(11-14-5-2-1-3-6-14)22(29)27-10-4-7-20(27)23(30)31/h1-3,5-6,8-9,12-13,19-20,25H,4,7,10-11H2,(H,26,28)(H,30,31)/t19-,20-/m0/s1